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Trapping of Ag+ into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry.


ABSTRACT: Self-assembly of (Bu4N)4[β-Mo8O26], AgNO3, and 2-bis[(2,6-diisopropylphenyl)-imino]acenaphthene (dpp-bian) in DMF solution resulted in the (Bu4N)2[β-{Ag(dpp-bian)}2Mo8O26] (1) complex. The complex was characterized by single crystal X-ray diffraction (SCXRD), X-ray powder diffraction (XRPD), diffuse reflectance (DR), infrared spectroscopy (IR), and elemental analysis. Comprehensive SCXRD studies of the crystal structure show the presence of Ag+ in an uncommon coordination environment without a clear preference for Ag-N over Ag-O bonding. Quantum chemical calculations were performed to qualify the nature of the Ag-N/Ag-O interactions and to assign the electronic transitions observed in the UV-Vis absorption spectra. The electrochemical behavior of the complex combines POM and redox ligand signatures. Complex 1 demonstrates catalytic activity in the electrochemical reduction of CO2.

SUBMITTER: Komlyagina VI 

PROVIDER: S-EPMC9607289 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature

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Trapping of Ag<sup>+</sup> into a Perfect Six-Coordinated Environment: Structural Analysis, Quantum Chemical Calculations and Electrochemistry.

Komlyagina Veronika I VI   Romashev Nikolay F NF   Kokovkin Vasily V VV   Gushchin Artem L AL   Benassi Enrico E   Sokolov Maxim N MN   Abramov Pavel A PA  

Molecules (Basel, Switzerland) 20221017 20


Self-assembly of (Bu<sub>4</sub>N)<sub>4</sub>[β-Mo<sub>8</sub>O<sub>26</sub>], AgNO<sub>3</sub>, and 2-bis[(2,6-diisopropylphenyl)-imino]acenaphthene (dpp-bian) in DMF solution resulted in the (Bu<sub>4</sub>N)<sub>2</sub>[β-{Ag(dpp-bian)}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>] (<b>1</b>) complex. The complex was characterized by single crystal X-ray diffraction (SCXRD), X-ray powder diffraction (XRPD), diffuse reflectance (DR), infrared spectroscopy (IR), and elemental analysis. Comprehensiv  ...[more]

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